4K0V
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![BU of 4k0v by Molmil](/molmil-images/mine/4k0v) | Structural basis for angiopoietin-1 mediated signaling initiation | Descriptor: | Angiopoietin-1, TEK tyrosine kinase variant | Authors: | Yu, X, Seegar, T.C.M, Dalton, A.C, Tzvetkova-Robev, D, Goldgur, Y, Nikolov, D.B, Barton, W.A. | Deposit date: | 2013-04-04 | Release date: | 2013-05-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (4.51 Å) | Cite: | Structural basis for angiopoietin-1-mediated signaling initiation. Proc.Natl.Acad.Sci.USA, 110, 2013
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4K2G
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![BU of 4k2g by Molmil](/molmil-images/mine/4k2g) | Structure of Pseudomonas aeruginosa PvdQ bound to BRD-A33442372 | Descriptor: | (2S)-(4-fluorophenyl)[6-(trifluoromethyl)pyridin-2-yl]ethanenitrile, 1,2-ETHANEDIOL, Acyl-homoserine lactone acylase PvdQ | Authors: | Drake, E.J, Wurst, J.M, Theriault, J.R, Munoz, B, Gulick, A.M. | Deposit date: | 2013-04-09 | Release date: | 2014-06-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Identification of Inhibitors of PvdQ, an Enzyme Involved in the Synthesis of the Siderophore Pyoverdine. Acs Chem.Biol., 9, 2014
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4K1E
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![BU of 4k1e by Molmil](/molmil-images/mine/4k1e) | Atomic resolution crystal structures of Kallikrein-Related Peptidase 4 complexed with a modified SFTI inhibitor FCQR | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Kallikrein-4, LITHIUM ION, ... | Authors: | Ilyichova, O.V, Swedberg, J.E, de Veer, S.J, Sit, K.C, Harris, J.M, Buckle, A.M. | Deposit date: | 2013-04-04 | Release date: | 2014-04-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Direct and indirect mechanisms of KLK4 inhibition revealed by structure and dynamics Sci Rep, 6, 2016
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4K2P
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4K3H
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![BU of 4k3h by Molmil](/molmil-images/mine/4k3h) | Immunoglobulin lambda variable domain L5(L89S) fluorogen activationg protein in complex with malachite green | Descriptor: | 4-{bis[4-(dimethylamino)phenyl]methyl}phenol, GLYCEROL, Immunoglobulin lambda variable domain L5(L89S), ... | Authors: | Stanfield, R.L, Szent-Gyorgyi, C, Wilson, I.A. | Deposit date: | 2013-04-10 | Release date: | 2013-10-09 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Malachite Green Mediates Homodimerization of Antibody VL Domains to Form a Fluorescent Ternary Complex with Singular Symmetric Interfaces. J.Mol.Biol., 425, 2013
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8ZKC
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![BU of 8zkc by Molmil](/molmil-images/mine/8zkc) | iron-sulfur cluster transfer protein ApbC | Descriptor: | GLYCEROL, Iron-sulfur cluster carrier protein, MAGNESIUM ION | Authors: | Yang, J, Liu, L. | Deposit date: | 2024-05-16 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Crystal structure of the iron-sulfur cluster transfer protein ApbC from Escherichia coli. Biochem.Biophys.Res.Commun., 722, 2024
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7BCB
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4JZ7
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![BU of 4jz7 by Molmil](/molmil-images/mine/4jz7) | Carbamate kinase from Giardia lamblia bound to AMP-PNP | Descriptor: | Carbamate kinase, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Lim, K, Herzberg, O. | Deposit date: | 2013-04-02 | Release date: | 2013-06-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal Structures of Carbamate Kinase from Giardia lamblia Bound with Citric Acid and AMP-PNP. Plos One, 8, 2013
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7BNX
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![BU of 7bnx by Molmil](/molmil-images/mine/7bnx) | Archeal holliday junction resolvase from Thermus thermophilus phage 15-6 | Descriptor: | Holliday junction resolvase, SULFATE ION | Authors: | Hakansson, M, Ahlqvist, J, Linares Pasten, J.A, Jasilionis, A, Nordberg Karlsson, E, Al-Karadaghi, S. | Deposit date: | 2021-01-22 | Release date: | 2022-02-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.551 Å) | Cite: | Crystal structure and initial characterization of a novel archaeal-like Holliday junction-resolving enzyme from Thermus thermophilus phage Tth15-6. Acta Crystallogr D Struct Biol, 78, 2022
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9AYW
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7BBN
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7BGS
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![BU of 7bgs by Molmil](/molmil-images/mine/7bgs) | Archeal holliday junction resolvase from Thermus thermophilus phage 15-6 | Descriptor: | Holliday junction resolvase, SULFATE ION | Authors: | Hakansson, M, Ahlqvist, J, Linares Pasten, J.A, Jasilionis, A, Nordberg Karlsson, E, Al-Karadaghi, S. | Deposit date: | 2021-01-08 | Release date: | 2022-01-19 | Last modified: | 2022-02-16 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure and initial characterization of a novel archaeal-like Holliday junction-resolving enzyme from Thermus thermophilus phage Tth15-6. Acta Crystallogr D Struct Biol, 78, 2022
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9F7X
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8Z5L
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![BU of 8z5l by Molmil](/molmil-images/mine/8z5l) | Crystal structure of metallo-beta-lactamse, IMP-1, complexed with a quinolinone-based inhibitor | Descriptor: | 3-[2-azanyl-5-[2-cyclohexylethyl-[3-(4-methylphenoxy)propyl]amino]phenyl]propanoic acid, Metallo-beta-lactamase type 2, ZINC ION | Authors: | Kamo, T, Kuroda, K, Nimura, S, Guo, Y, Kondo, S, Nukaga, M, Hoshino, T. | Deposit date: | 2024-04-18 | Release date: | 2024-05-08 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Development of Inhibitory Compounds for Metallo-beta-lactamase through Computational Design and Crystallographic Analysis. Biochemistry, 63, 2024
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4K4O
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![BU of 4k4o by Molmil](/molmil-images/mine/4k4o) | The DNA Gyrase B ATP binding domain of Enterococcus faecalis in complex with a small molecule inhibitor | Descriptor: | 6-fluoro-4-[(3aR,6aR)-hexahydropyrrolo[3,4-b]pyrrol-5(1H)-yl]-N-methyl-2-[(2-methylpyrimidin-5-yl)oxy]-9H-pyrimido[4,5-b]indol-8-amine, DNA gyrase subunit B, TERTIARY-BUTYL ALCOHOL | Authors: | Bensen, D.C, Akers-Rodriguez, S, Lam, T, Tari, L.W. | Deposit date: | 2013-04-12 | Release date: | 2014-01-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | A new class of type IIA topoisomerase inhibitors with broad-spectrum antibacterial
activity To be Published
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9F7W
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4K5K
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![BU of 4k5k by Molmil](/molmil-images/mine/4k5k) | Structure of bovine endothelial nitric oxide synthase heme domain in complex with ((2S, 3S)-1,3-bis((6-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methylpyridin-2-yl)methoxy)-2-aminobutane | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6,6'-{[(2S,3S)-2-aminobutane-1,3-diyl]bis(oxymethanediyl)}bis(4-methylpyridin-2-amine), ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2013-04-14 | Release date: | 2013-09-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Chiral linkers to improve selectivity of double-headed neuronal nitric oxide synthase inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
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4K1Q
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8Y22
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![BU of 8y22 by Molmil](/molmil-images/mine/8y22) | FGFR1 kinase domain with a covalent inhibitor 9g | Descriptor: | Fibroblast growth factor receptor 1, SULFATE ION, ~{N}-[4-[[4-azanyl-3-(7-methoxy-5-methyl-1-benzothiophen-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]propanamide | Authors: | Chen, X.J, Chen, Y.H. | Deposit date: | 2024-01-25 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.792 Å) | Cite: | Design, synthesis and biological evaluation of 5-amino-1H-pyrazole-4-carboxamide derivatives as pan-FGFR covalent inhibitors. Eur.J.Med.Chem., 275, 2024
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4K33
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![BU of 4k33 by Molmil](/molmil-images/mine/4k33) | Crystal Structure of FGF Receptor 3 (FGFR3) Kinase Domain Harboring the K650E Mutation, a Gain-of-Function Mutation Responsible for Thanatophoric Dysplasia Type II and Spermatocytic Seminoma | Descriptor: | Fibroblast growth factor receptor 3, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER | Authors: | Huang, Z, Chen, H, Mohammadi, M. | Deposit date: | 2013-04-10 | Release date: | 2013-09-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3405 Å) | Cite: | Structural Mimicry of A-Loop Tyrosine Phosphorylation by a Pathogenic FGF Receptor 3 Mutation. Structure, 21, 2013
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9ERY
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![BU of 9ery by Molmil](/molmil-images/mine/9ery) | Co-crystal strucutre of PD-L1 with low molecular weight inhibitor | Descriptor: | 5-[[5-[[2-[bis(fluoranyl)methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]methoxy]-2-[(2-hydroxyethylamino)methyl]phenoxy]methyl]pyridine-3-carbonitrile, Programmed cell death 1 ligand 1, SULFATE ION | Authors: | Plewka, J, Magiera-Mularz, K, Zhang, W. | Deposit date: | 2024-03-25 | Release date: | 2024-07-24 | Last modified: | 2024-07-31 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Design, synthesis, and evaluation of antitumor activity of 2-arylmethoxy-4-(2-fluoromethyl-biphenyl-3-ylmethoxy) benzylamine derivatives as PD-1/PD-l1 inhibitors. Eur.J.Med.Chem., 276, 2024
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4K3D
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![BU of 4k3d by Molmil](/molmil-images/mine/4k3d) | Crystal structure of bovine antibody BLV1H12 with ultralong CDR H3 | Descriptor: | BOVINE ANTIBODY WITH ULTRALONG CDR H3, HEAVY CHAIN, LIGHT CHAIN, ... | Authors: | Ekiert, D.C, Wang, F, Wilson, I.A. | Deposit date: | 2013-04-10 | Release date: | 2013-06-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Reshaping antibody diversity. Cell(Cambridge,Mass.), 153, 2013
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9BP6
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4K4A
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![BU of 4k4a by Molmil](/molmil-images/mine/4k4a) | X-ray crystal structure of E. coli YdiI complexed with phenacyl-CoA | Descriptor: | Esterase YdiI, phenacyl coenzyme A | Authors: | Ru, W, Farelli, J.D, Dunaway-Mariano, D, Allen, K.N. | Deposit date: | 2013-04-12 | Release date: | 2014-07-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Structure and Catalysis in the Escherichia coli Hotdog-fold Thioesterase Paralogs YdiI and YbdB. Biochemistry, 53, 2014
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9BKS
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![BU of 9bks by Molmil](/molmil-images/mine/9bks) | Crystal structure of the Human TRIP12 WWE domain (isoform 2) in complex with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Isoform 2 of E3 ubiquitin-protein ligase TRIP12 | Authors: | Kimani, S, Dong, A, Li, Y, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2024-04-29 | Release date: | 2024-07-31 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | Crystal structure of the Human TRIP12 WWE domain (isoform 2) in complex with ADP To be published
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